[4-(butan-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(butan-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(sec-butylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(butan-2-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(butan-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(sec-butylcarbamoyl)phenyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C19H23NO4S/c1-5-15(4)20-19(21)16-8-10-17(11-9-16)24-25(22,23)18-12-13(2)6-7-14(18)3/h6-12,15H,5H2,1-4H3,(H,20,21)